methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate

C14H19NO3 — CID 54979100

IUPACmethyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H19NO3/c1-5-15(9-13(16)18-4)14(17)12-7-6-10(2)8-11(12)3/h6-8H,5,9H2,1-4H3
InChIKeyUNKLDJVXBSHQRB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.94
Rot. Bonds4

About methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate

methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate (PubChem CID 54979100) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate
PubChem CID54979100
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H19NO3/c1-5-15(9-13(16)18-4)14(17)12-7-6-10(2)8-11(12)3/h6-8H,5,9H2,1-4H3
InChIKeyUNKLDJVXBSHQRB-UHFFFAOYSA-N
XLogP1.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromoethyl)-N-ethyl-2,4-dimethylbenzamide
CID 80661347
methyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate
CID 106491024
methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate
CID 54979189
N-ethyl-N,2,4-trimethylbenzamide
CID 59887663
methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate
CID 61383302
2-[(2-chloro-4-methylbenzoyl)-ethylamino]acetic acid
CID 106860509
methyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate
CID 104624340
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
methyl 2-[(2-chloro-4-methylbenzoyl)-methylamino]acetate
CID 106509702
methyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate
CID 106853790
methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate
CID 54998021
methyl 2-[benzoyl(ethyl)amino]acetate
CID 57002755

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate?
The IUPAC name of methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate (CID 54979100) is methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate?
The canonical SMILES for methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate is CCN(CC(=O)OC)C(=O)c1ccc(C)cc1C.
What is the InChIKey of methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate?
The InChIKey is UNKLDJVXBSHQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-5-15(9-13(16)18-4)14(17)12-7-6-10(2)8-11(12)3/h6-8H,5,9H2,1-4H3.
What are the key properties of methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate?
methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate has a molecular weight of 249.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate is sourced from PubChem (CID 54979100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).